3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole

C11H8ClF3N2O — CID 130223137

IUPAC3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1cn(-c2ccc(OC(F)(F)F)cc2)nc1Cl
InChIInChI=1S/C11H8ClF3N2O/c1-7-6-17(16-10(7)12)8-2-4-9(5-3-8)18-11(13,14)15/h2-6H,1H3
InChIKeyOVAIZRVFAZRCIY-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.73
Rot. Bonds2

About 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole

3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 130223137) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID130223137
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Name3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1cn(-c2ccc(OC(F)(F)F)cc2)nc1Cl
InChIInChI=1S/C11H8ClF3N2O/c1-7-6-17(16-10(7)12)8-2-4-9(5-3-8)18-11(13,14)15/h2-6H,1H3
InChIKeyOVAIZRVFAZRCIY-UHFFFAOYSA-N
XLogP3.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 176921516
ethyl 3-methoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
CID 66777939
3-chloro-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 63384165
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782
1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carbaldehyde
CID 126645592
1-(4-bromophenyl)-3-methyl-N'-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboximidamide
CID 155585880
3-chloro-4-iodo-1-[4-(trifluoromethoxy)phenyl]pyrazole;2-[2-[3-chloro-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethynyl]pyridine;2-ethynylpyridine
CID 159610385
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-methylpropanoic acid;1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 161225794
3-(2-methoxyethoxy)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 130222893
3-(4-methylsulfonylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 166792040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole (CID 130223137) is 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole is Cc1cn(-c2ccc(OC(F)(F)F)cc2)nc1Cl.
What is the InChIKey of 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is OVAIZRVFAZRCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c1-7-6-17(16-10(7)12)8-2-4-9(5-3-8)18-11(13,14)15/h2-6H,1H3.
What are the key properties of 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 276.65 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 130223137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).